{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.051846 ] [ 0.333333 0.666667 0.446115 ] [ 0.333333 0.666667 0.181905 ] [ 0 0 0.304142 ] [ 0.666667 0.333333 0.815328 ] [ 0.333333 0.666667 0.944624 ] [ 0 0 0.658037 ] [ 0.666667 0.333333 0.614866 ] [ 0 0 0.998779 ] [ 0.666667 0.333333 0.362303 ] [ 0.333333 0.666667 0.645764 ] [ 0 0 0.497491 ] [ 0.165154 0.330308 0.06764 ] [ 0.505145 0.494855 0.295339 ] [ 0.98971 0.494855 0.295339 ] [ 0.669692 0.834846 0.06764 ] [ 0.15413 0.84587 0.573517 ] [ 0.83872 0.677441 0.430987 ] [ 0.165154 0.834846 0.06764 ] [ 0.505145 0.01029 0.295339 ] [ 0.69174 0.84587 0.573517 ] [ 0.322559 0.16128 0.430987 ] [ 0.834792 0.165208 0.930587 ] [ 0.504828 0.009656 0.694862 ] [ 0.15413 0.30826 0.573517 ] [ 0.83872 0.16128 0.430987 ] [ 0.330416 0.165208 0.930587 ] [ 0.990344 0.495172 0.694862 ] [ 0.834792 0.669584 0.930587 ] [ 0.504828 0.495172 0.694862 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ho" "Ho" "U" "U" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.99373643 "source-unit" "angstrom" } "c" { "source-value" 17.32650519 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.4615620080000005 "source-unit" "eV" } }